==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-MAY-06 2CN8 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.W.OLIVER,L.H.PEARL . 266 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 18 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 2 1 0 0 2 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 212 A Y 0 0 139 0, 0.0 10,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.8 -15.8 62.1 -1.5 2 213 A P > - 0 0 31 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.068 360.0-117.1 -46.5 145.7 -19.2 62.3 -3.3 3 214 A K H > S+ 0 0 153 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.936 110.4 56.8 -58.7 -49.5 -21.7 64.7 -1.9 4 215 A A H 4 S+ 0 0 62 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.861 113.9 40.2 -51.8 -39.3 -24.4 62.1 -1.0 5 216 A L H >> S+ 0 0 0 -3,-0.4 3,-4.4 2,-0.2 4,-2.5 0.987 113.4 49.2 -76.4 -59.0 -21.9 60.2 1.2 6 217 A R H 3< S+ 0 0 103 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.788 105.1 64.5 -49.6 -29.0 -20.1 63.2 2.9 7 218 A D T 3< S+ 0 0 74 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.713 117.0 23.6 -64.0 -22.7 -23.5 64.3 3.6 8 219 A E T <4 S+ 0 0 72 -3,-4.4 18,-4.7 1,-0.2 2,-0.4 0.636 122.0 49.2-113.2 -28.1 -24.1 61.2 5.8 9 220 A Y E < -A 25 0A 9 -4,-2.5 2,-1.0 16,-0.3 -1,-0.2 -0.947 65.2-141.7-125.3 131.4 -20.7 60.2 6.9 10 221 A I E -A 24 0A 68 14,-3.3 14,-2.0 -2,-0.4 -4,-0.1 -0.847 33.9-139.6 -86.1 102.1 -17.8 62.1 8.4 11 222 A M E +A 23 0A 32 -2,-1.0 12,-0.2 12,-0.2 2,-0.2 -0.254 33.1 159.5 -59.9 157.7 -14.8 60.4 6.7 12 223 A S E - 0 0 47 10,-1.4 -1,-0.1 1,-0.2 11,-0.1 -0.648 33.4 -11.8-159.0-158.0 -11.7 59.8 8.8 13 224 A K E - 0 0 144 -2,-0.2 9,-2.8 8,-0.1 2,-0.2 -0.072 66.1 -97.1 -66.0 156.8 -8.4 57.7 9.2 14 225 A T E -A 21 0A 64 7,-0.2 7,-0.3 1,-0.1 -1,-0.1 -0.494 22.1-169.1 -75.0 135.1 -7.3 54.6 7.2 15 226 A L E - 0 0 74 5,-3.1 6,-0.2 1,-0.4 2,-0.1 0.289 65.6 -65.3-102.9 3.3 -7.9 51.2 8.7 16 227 A G E A 20 0A 34 4,-0.7 4,-2.3 1,-0.1 -1,-0.4 -0.420 360.0 360.0 133.8 161.0 -5.7 49.5 6.0 17 228 A S 0 0 146 2,-0.2 -1,-0.1 -2,-0.1 4,-0.0 0.220 360.0 360.0-141.9 360.0 -5.4 48.8 2.2 18 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 19 233 A E 0 0 109 0, 0.0 17,-3.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 132.9 -8.9 51.1 1.1 20 234 A V E -AB 16 35A 40 -4,-2.3 -5,-3.1 15,-0.2 -4,-0.7 -0.993 360.0-168.5-117.8 125.1 -11.0 50.8 4.2 21 235 A K E -AB 14 34A 16 13,-2.3 13,-2.2 -2,-0.5 2,-0.3 -0.820 22.5-123.5-109.7 147.2 -11.6 54.0 6.1 22 236 A L E + B 0 33A 15 -9,-2.8 -10,-1.4 -2,-0.3 2,-0.3 -0.688 40.3 172.7 -78.9 146.4 -13.0 54.7 9.6 23 237 A A E -AB 11 32A 0 9,-1.9 9,-2.5 -2,-0.3 2,-0.4 -0.977 25.6-137.4-156.1 149.9 -16.0 57.0 9.3 24 238 A F E -AB 10 31A 58 -14,-2.0 -14,-3.3 -2,-0.3 7,-0.2 -0.969 28.9-111.5-119.9 136.3 -18.7 58.3 11.7 25 239 A E E > -A 9 0A 37 5,-2.7 4,-2.7 -2,-0.4 3,-0.3 -0.421 26.7-136.3 -63.3 131.5 -22.4 58.6 10.9 26 240 A R T 4 S+ 0 0 108 -18,-4.7 -1,-0.2 1,-0.2 -17,-0.1 0.804 97.0 41.3 -64.5 -28.5 -23.1 62.3 10.7 27 241 A K T 4 S+ 0 0 151 -19,-0.4 -1,-0.2 1,-0.1 -18,-0.1 0.765 131.1 20.7 -92.5 -27.3 -26.4 62.1 12.7 28 242 A T T 4 S- 0 0 86 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.507 88.2-132.7-116.8 -16.6 -25.5 59.7 15.4 29 243 A C < + 0 0 85 -4,-2.7 -3,-0.1 1,-0.2 2,-0.1 0.630 51.3 154.6 60.9 10.9 -21.7 59.8 15.5 30 244 A K - 0 0 102 -5,-0.1 -5,-2.7 -6,-0.1 2,-0.2 -0.452 46.5-115.3 -59.3 142.5 -21.7 55.9 15.5 31 245 A K E +B 24 0A 113 -7,-0.2 44,-0.4 -3,-0.1 2,-0.3 -0.604 43.4 163.1 -83.5 143.8 -18.5 54.5 14.1 32 246 A V E -B 23 0A 0 -9,-2.5 -9,-1.9 -2,-0.2 2,-0.3 -0.898 32.4-120.2-145.6 173.0 -18.6 52.5 10.9 33 247 A A E -BC 22 73A 7 40,-2.8 40,-3.2 -2,-0.3 2,-0.4 -0.890 17.5-156.2-119.7 151.5 -16.1 51.3 8.2 34 248 A I E -BC 21 72A 0 -13,-2.2 -13,-2.3 -2,-0.3 2,-0.5 -0.978 6.6-150.0-133.9 114.1 -16.3 52.2 4.5 35 249 A K E -BC 20 71A 47 36,-2.9 36,-2.6 -2,-0.4 2,-0.5 -0.762 13.8-155.1 -88.2 124.4 -14.6 50.0 1.9 36 250 A I E - C 0 70A 23 -17,-3.6 2,-0.5 -2,-0.5 34,-0.2 -0.895 12.8-177.6-103.0 124.0 -13.5 52.0 -1.1 37 251 A I E - C 0 69A 46 32,-2.7 32,-2.7 -2,-0.5 2,-0.1 -0.982 16.3-145.2-120.2 124.2 -13.2 50.3 -4.4 38 252 A S 0 0 94 -2,-0.5 30,-0.1 30,-0.2 29,-0.0 -0.394 360.0 360.0 -87.6 169.1 -12.0 52.3 -7.3 39 253 A K 0 0 137 28,-0.2 -1,-0.1 -2,-0.1 29,-0.1 0.509 360.0 360.0-132.2 360.0 -13.0 52.0 -11.1 40 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 41 269 A N > 0 0 119 0, 0.0 4,-1.0 0, 0.0 103,-0.2 0.000 360.0 360.0 360.0 24.5 -18.7 42.0 -9.6 42 270 A V H > + 0 0 13 2,-0.2 4,-2.7 3,-0.1 5,-0.3 0.732 360.0 59.8 -86.1 -38.8 -19.2 44.7 -7.0 43 271 A E H > S+ 0 0 104 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.938 105.9 47.8 -43.3 -55.9 -22.8 44.3 -8.0 44 272 A T H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.931 109.0 52.4 -50.3 -55.9 -22.4 40.6 -6.9 45 273 A E H X S+ 0 0 6 -4,-1.0 4,-3.0 97,-0.2 -2,-0.2 0.957 113.4 43.5 -48.3 -57.4 -20.8 41.6 -3.6 46 274 A I H X S+ 0 0 14 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.914 111.0 53.2 -55.1 -51.5 -23.6 44.0 -2.7 47 275 A E H X S+ 0 0 113 -4,-2.7 4,-1.3 -5,-0.3 -1,-0.2 0.896 114.9 44.0 -52.3 -46.9 -26.4 41.6 -3.8 48 276 A I H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 3,-0.5 0.947 111.0 50.8 -60.3 -54.3 -24.9 39.0 -1.6 49 277 A L H < S+ 0 0 4 -4,-3.0 11,-0.5 1,-0.3 -2,-0.2 0.805 111.5 49.7 -62.4 -29.8 -24.2 41.2 1.4 50 278 A K H < S+ 0 0 142 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.816 111.2 48.7 -72.8 -36.4 -27.8 42.4 1.4 51 279 A K H < S+ 0 0 131 -4,-1.3 2,-0.4 -3,-0.5 -2,-0.2 0.708 97.5 84.6 -79.2 -21.3 -29.3 38.8 1.2 52 280 A L < + 0 0 15 -4,-1.4 2,-0.4 6,-0.1 58,-0.0 -0.708 47.2 179.5 -98.2 135.7 -27.3 37.3 4.0 53 281 A N + 0 0 113 -2,-0.4 5,-0.1 6,-0.1 3,-0.1 -0.927 27.3 131.3-131.7 103.3 -28.1 37.4 7.7 54 282 A H > - 0 0 27 -2,-0.4 3,-2.3 3,-0.4 -2,-0.0 -0.915 57.4-128.2-157.5 134.4 -25.6 35.7 10.1 55 283 A P T 3 S+ 0 0 47 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.751 112.0 46.5 -58.0 -25.2 -23.7 36.7 13.3 56 284 A C T 3 S+ 0 0 0 46,-0.1 82,-2.1 81,-0.1 2,-0.4 0.013 98.6 79.1-102.7 29.8 -20.4 35.6 11.7 57 285 A I B < S-e 138 0B 1 -3,-2.3 -3,-0.4 80,-0.3 82,-0.1 -0.990 87.9-107.6-137.3 127.9 -20.8 37.4 8.3 58 286 A I - 0 0 6 80,-2.2 2,-0.3 -2,-0.4 -6,-0.1 -0.167 32.3-138.6 -59.3 136.5 -20.2 41.1 7.9 59 287 A K - 0 0 69 -4,-0.1 15,-1.3 -6,-0.0 2,-0.3 -0.759 6.7-134.5 -98.6 146.7 -23.3 43.2 7.4 60 288 A I E -D 73 0A 27 -11,-0.5 13,-0.2 -2,-0.3 3,-0.1 -0.738 18.4-177.7 -97.8 147.2 -23.6 46.0 4.9 61 289 A K E - 0 0 79 11,-3.6 2,-0.3 1,-0.4 12,-0.2 0.515 63.4 -13.6-121.0 -16.7 -25.2 49.3 6.1 62 290 A N E -D 72 0A 42 10,-1.2 10,-2.4 2,-0.0 -1,-0.4 -0.977 54.3-148.7-178.6 169.1 -25.1 51.4 3.0 63 291 A F E -D 71 0A 47 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.929 1.5-162.5-161.5 127.7 -23.7 51.8 -0.4 64 292 A F E +D 70 0A 22 6,-2.7 6,-2.2 -2,-0.3 -2,-0.0 -0.968 8.9 175.6-119.6 137.1 -22.7 54.6 -2.7 65 293 A D + 0 0 75 -2,-0.4 -1,-0.1 4,-0.2 6,-0.0 0.824 40.6 114.5-107.9 -47.6 -22.2 54.2 -6.5 66 294 A A S S- 0 0 75 1,-0.2 2,-1.4 4,-0.0 -2,-0.0 -0.057 101.0 -31.2 -30.3 103.4 -21.5 57.7 -7.9 67 295 A E S S+ 0 0 160 2,-0.0 2,-0.3 -29,-0.0 -28,-0.2 -0.433 134.0 25.1 85.7 -64.9 -17.8 57.4 -9.2 68 296 A D S S- 0 0 43 -2,-1.4 2,-0.4 -30,-0.1 -30,-0.2 -0.840 89.9-108.0-114.0 167.0 -16.0 55.0 -6.8 69 297 A Y E -C 37 0A 44 -32,-2.7 -32,-2.7 -2,-0.3 2,-0.4 -0.823 31.8-171.0 -93.2 137.5 -17.8 52.3 -4.9 70 298 A Y E -CD 36 64A 13 -6,-2.2 -6,-2.7 -2,-0.4 2,-0.6 -0.988 2.6-166.9-125.8 120.0 -18.1 52.9 -1.2 71 299 A I E -CD 35 63A 0 -36,-2.6 -36,-2.9 -2,-0.4 2,-0.5 -0.936 12.6-146.8-107.7 119.1 -19.5 50.0 0.8 72 300 A V E +CD 34 62A 0 -10,-2.4 -11,-3.6 -2,-0.6 -10,-1.2 -0.760 28.5 171.9 -92.1 126.3 -20.5 51.0 4.3 73 301 A L E -CD 33 60A 19 -40,-3.2 -40,-2.8 -2,-0.5 -13,-0.2 -0.802 39.3 -78.6-128.2 160.7 -19.9 48.2 6.9 74 302 A E - 0 0 37 -15,-1.3 2,-0.4 -2,-0.2 -42,-0.2 -0.265 52.2-118.7 -42.6 141.7 -19.9 47.3 10.7 75 303 A L - 0 0 25 -44,-0.4 2,-0.6 -43,-0.1 -1,-0.1 -0.777 21.5-153.6 -88.7 137.5 -16.7 48.5 12.3 76 304 A M > - 0 0 19 -2,-0.4 3,-1.4 1,-0.1 51,-0.2 -0.930 4.3-164.7-114.4 109.4 -14.7 45.6 13.7 77 305 A E T 3 S+ 0 0 115 51,-1.1 52,-0.2 -2,-0.6 51,-0.2 0.661 81.4 65.8 -70.9 -13.3 -12.6 47.0 16.5 78 306 A G T 3 S- 0 0 6 49,-2.6 -1,-0.3 1,-0.2 50,-0.2 0.638 94.4-139.2 -87.3 -13.1 -10.4 43.9 16.6 79 307 A G E < -F 127 0B 26 -3,-1.4 48,-1.9 48,-0.5 -1,-0.2 -0.193 43.3 -38.7 83.8-178.3 -8.8 44.4 13.1 80 308 A E E > -F 126 0B 71 46,-0.2 3,-0.9 1,-0.1 46,-0.2 -0.461 50.6-123.3 -80.6 156.9 -8.1 41.5 10.6 81 309 A L T >> S+ 0 0 0 44,-2.8 3,-2.6 41,-1.1 4,-1.0 0.807 105.9 77.0 -73.2 -27.4 -6.9 38.2 11.9 82 310 A F H >> S+ 0 0 74 40,-1.2 4,-2.0 43,-0.3 3,-1.2 0.893 87.9 59.3 -40.5 -47.5 -3.9 38.5 9.7 83 311 A D H <4 S+ 0 0 90 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.614 102.2 52.7 -65.6 -12.4 -2.5 41.0 12.2 84 312 A K H <4 S+ 0 0 64 -3,-2.6 6,-0.7 -4,-0.2 -1,-0.3 0.698 116.7 37.5 -93.1 -21.0 -2.6 38.3 14.9 85 313 A V H > - 0 0 113 -2,-0.2 4,-1.8 1,-0.1 3,-1.7 -0.376 41.4-117.0 -60.6 132.1 -3.3 29.8 21.9 93 321 A E H 3> S+ 0 0 47 1,-0.3 4,-2.3 129,-0.2 5,-0.2 0.872 111.0 56.9 -45.3 -45.1 -5.0 26.5 20.8 94 322 A A H 3> S+ 0 0 44 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.734 108.7 46.2 -63.8 -27.7 -8.3 27.3 22.6 95 323 A T H <> S+ 0 0 0 -3,-1.7 4,-3.1 2,-0.2 5,-0.3 0.810 105.9 57.0 -86.9 -35.9 -8.8 30.6 20.7 96 324 A C H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.958 109.9 49.3 -40.9 -55.2 -7.9 28.9 17.4 97 325 A K H X S+ 0 0 26 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.940 110.9 48.6 -53.5 -52.3 -10.9 26.6 18.4 98 326 A L H X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.940 115.9 41.7 -58.5 -51.0 -13.1 29.6 19.1 99 327 A Y H X S+ 0 0 1 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.842 115.2 50.9 -61.3 -35.4 -12.3 31.4 15.8 100 328 A F H X S+ 0 0 1 -4,-2.6 4,-3.0 -5,-0.3 5,-0.2 0.865 103.6 56.8 -79.8 -36.9 -12.5 28.3 13.7 101 329 A Y H X S+ 0 0 29 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.947 112.1 44.4 -49.1 -48.4 -15.9 27.2 15.1 102 330 A Q H X S+ 0 0 0 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.921 111.1 53.1 -70.4 -39.2 -17.2 30.6 14.0 103 331 A M H X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.902 110.3 48.0 -63.5 -40.6 -15.4 30.3 10.6 104 332 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.918 110.0 51.0 -72.3 -42.2 -17.0 26.9 10.0 105 333 A L H X S+ 0 0 32 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.943 112.6 47.7 -55.8 -42.0 -20.5 28.1 10.9 106 334 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.970 114.9 43.4 -64.6 -54.1 -20.2 31.1 8.5 107 335 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.855 111.1 54.4 -63.8 -36.0 -18.9 29.1 5.6 108 336 A Q H X S+ 0 0 29 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.968 108.2 52.5 -59.3 -46.8 -21.5 26.4 6.2 109 337 A Y H < S+ 0 0 46 -4,-2.6 4,-0.3 -5,-0.2 -2,-0.2 0.855 108.4 48.3 -60.4 -34.4 -24.0 29.1 6.0 110 338 A L H ><>S+ 0 0 0 -4,-1.8 3,-2.7 1,-0.2 5,-1.9 0.999 112.6 49.0 -66.2 -57.9 -22.7 30.4 2.7 111 339 A H H ><5S+ 0 0 13 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.814 106.1 55.1 -46.4 -43.1 -22.7 26.9 1.2 112 340 A E T 3<5S+ 0 0 131 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.555 110.1 49.8 -66.5 -7.2 -26.3 26.1 2.4 113 341 A N T < 5S- 0 0 76 -3,-2.7 -1,-0.3 -4,-0.3 -2,-0.2 -0.049 124.1-105.7-121.4 22.8 -27.3 29.3 0.5 114 342 A G T < 5S+ 0 0 19 -3,-1.6 33,-4.2 1,-0.2 2,-0.4 0.699 77.4 133.3 59.0 27.4 -25.5 28.2 -2.6 115 343 A I E < -H 146 0C 1 -5,-1.9 2,-0.4 31,-0.2 31,-0.2 -0.915 39.5-163.0-111.5 132.9 -22.5 30.7 -2.2 116 344 A I E -H 145 0C 3 29,-2.8 29,-1.7 -2,-0.4 60,-0.1 -0.953 7.6-156.8-110.2 134.3 -18.9 29.9 -2.5 117 345 A H - 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0 0 59 -3,-1.4 5,-0.0 -7,-0.1 -7,-0.0 -0.424 67.3-116.3 -73.7 127.6 -21.9 18.8 -26.3 162 392 A A >> - 0 0 38 -2,-0.2 2,-2.0 1,-0.1 4,-1.6 -0.254 30.0-110.8 -58.4 148.0 -18.1 18.4 -26.2 163 393 A P T 34 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.557 112.6 48.4 -82.7 80.2 -16.9 15.4 -24.2 164 394 A E T 3> S+ 0 0 124 -2,-2.0 4,-0.9 0, 0.0 -2,-0.0 0.053 99.6 62.2 170.2 -30.8 -15.3 17.3 -21.4 165 395 A V H <> S+ 0 0 59 -3,-1.2 4,-1.1 2,-0.1 -11,-0.0 0.880 112.3 44.8 -63.2 -45.1 -18.2 19.6 -20.8 166 396 A L H >X S+ 0 0 69 -4,-1.6 3,-2.7 2,-0.2 4,-0.6 0.992 114.6 43.1 -53.7 -86.3 -19.7 16.2 -20.0 167 397 A V H 34 S+ 0 0 125 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.843 110.8 61.2 -21.7 -48.4 -16.9 14.7 -17.9 168 398 A S H >< S+ 0 0 59 -4,-0.9 3,-0.8 1,-0.2 -1,-0.3 0.871 92.7 64.7 -58.8 -38.5 -16.7 18.2 -16.3 169 399 A V H X< S+ 0 0 38 -3,-2.7 3,-3.4 -4,-1.1 2,-1.4 0.869 85.5 68.0 -55.4 -49.2 -20.3 17.9 -15.0 170 400 A G T 3< S+ 0 0 51 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.1 0.145 94.0 65.2 -57.7 24.9 -19.6 14.9 -12.6 171 401 A T T X S+ 0 0 69 -2,-1.4 3,-1.4 -3,-0.8 -1,-0.3 0.301 74.4 117.6-119.7 -11.6 -17.6 17.6 -10.7 172 402 A A T < + 0 0 37 -3,-3.4 -3,-0.0 1,-0.3 0, 0.0 -0.429 69.9 32.9 -67.5 137.3 -20.7 19.6 -10.0 173 403 A G T 3 S+ 0 0 53 -2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.463 104.2 77.7 95.8 7.2 -21.4 19.8 -6.2 174 404 A Y X + 0 0 92 -3,-1.4 3,-0.7 2,-0.1 -2,-0.1 0.336 59.8 90.8-129.7 -4.3 -17.6 19.9 -5.3 175 405 A N T > S+ 0 0 78 -4,-0.2 3,-2.3 1,-0.2 4,-0.3 0.858 79.1 66.5 -60.5 -33.7 -16.6 23.4 -6.0 176 406 A R T >> S+ 0 0 89 1,-0.3 3,-2.0 2,-0.2 4,-0.9 0.823 82.1 80.5 -57.8 -25.5 -17.5 24.5 -2.5 177 407 A A H <> S+ 0 0 12 -3,-0.7 4,-1.7 1,-0.3 -1,-0.3 0.633 75.4 69.7 -59.9 -11.6 -14.6 22.3 -1.5 178 408 A V H <> S+ 0 0 65 -3,-2.3 4,-2.0 2,-0.2 -1,-0.3 0.835 95.9 55.2 -73.3 -29.4 -12.1 25.0 -2.3 179 409 A D H <> S+ 0 0 0 -3,-2.0 4,-2.0 -4,-0.3 -2,-0.2 0.893 106.8 50.1 -64.3 -40.7 -13.5 26.9 0.7 180 410 A C H X S+ 0 0 3 -4,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.899 108.2 51.2 -69.3 -39.6 -12.7 23.9 3.0 181 411 A W H X S+ 0 0 37 -4,-1.7 4,-1.7 1,-0.2 3,-0.4 0.973 111.3 49.4 -54.8 -51.7 -9.2 23.6 1.7 182 412 A S H X S+ 0 0 31 -4,-2.0 4,-2.2 1,-0.3 -2,-0.2 0.792 107.6 53.3 -58.1 -36.6 -8.8 27.4 2.4 183 413 A L H X S+ 0 0 1 -4,-2.0 4,-3.0 2,-0.2 -1,-0.3 0.862 106.8 53.4 -67.9 -35.2 -10.1 27.0 6.0 184 414 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 -3,-0.4 -2,-0.2 0.879 107.6 50.1 -70.5 -34.5 -7.6 24.3 6.5 185 415 A V H X S+ 0 0 32 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.939 111.9 48.6 -66.8 -42.1 -4.8 26.5 5.4 186 416 A I H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.933 112.8 47.9 -59.4 -44.3 -6.1 29.2 7.8 187 417 A L H X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.941 108.2 54.1 -66.4 -41.9 -6.3 26.7 10.6 188 418 A F H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 5,-0.4 0.955 111.5 46.1 -54.9 -49.6 -2.9 25.4 10.0 189 419 A I H X S+ 0 0 29 -4,-2.2 4,-4.3 1,-0.2 3,-0.5 0.957 112.0 49.1 -58.3 -58.6 -1.5 29.0 10.2 190 420 A C H < S+ 0 0 3 -4,-2.7 -99,-1.3 1,-0.2 -1,-0.2 0.864 114.9 46.2 -46.1 -42.1 -3.4 29.9 13.4 191 421 A L H < S+ 0 0 2 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.840 129.4 19.9 -77.4 -28.0 -2.3 26.7 15.1 192 422 A S H < S- 0 0 5 -4,-2.1 -2,-0.2 -3,-0.5 -3,-0.2 0.670 88.8-128.9-116.2 -27.9 1.4 26.9 14.2 193 423 A G S < S+ 0 0 4 -4,-4.3 -105,-0.2 -5,-0.4 -104,-0.2 0.471 80.3 85.0 82.7 0.5 2.2 30.4 13.3 194 424 A Y S S- 0 0 18 -6,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 -0.902 82.5-104.0-127.4 163.0 3.8 29.4 9.9 195 425 A P - 0 0 61 0, 0.0 19,-0.2 0, 0.0 -9,-0.1 -0.688 16.5-141.9 -84.4 139.3 2.3 28.8 6.4 196 426 A P S S+ 0 0 2 0, 0.0 18,-2.6 0, 0.0 2,-0.4 0.905 92.8 35.7 -65.1 -41.8 2.0 25.2 5.2 197 427 A F S S+ 0 0 26 16,-0.2 2,-0.3 -3,-0.0 16,-0.1 -0.933 77.9 145.8-114.9 143.6 3.0 26.1 1.7 198 428 A S - 0 0 36 -2,-0.4 9,-0.1 -3,-0.0 16,-0.0 -0.972 55.5-124.2-172.5 145.7 5.6 28.8 1.1 199 429 A E 0 0 152 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.385 360.0 360.0 -82.8 1.5 8.4 29.8 -1.3 200 430 A H 0 0 220 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.958 360.0 360.0 -60.7 360.0 10.8 30.0 1.7 201 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 202 434 A V 0 0 153 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 136.5 10.2 22.7 -4.7 203 435 A S > - 0 0 56 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.594 360.0-108.5-101.2 148.2 7.8 25.3 -6.0 204 436 A L H > S+ 0 0 63 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.868 116.8 50.7 -31.7 -62.4 4.5 26.7 -4.7 205 437 A K H > S+ 0 0 166 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.957 114.5 42.7 -50.7 -56.3 2.4 24.9 -7.4 206 438 A D H > S+ 0 0 95 1,-0.2 4,-3.0 2,-0.2 5,-0.5 0.959 109.4 58.4 -57.2 -51.7 4.0 21.5 -6.8 207 439 A Q H X>S+ 0 0 20 -4,-2.6 4,-1.3 1,-0.2 5,-1.0 0.879 114.1 38.4 -36.1 -55.3 3.9 21.9 -3.0 208 440 A I H <5S+ 0 0 61 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.934 115.5 47.6 -74.1 -53.2 0.1 22.3 -3.2 209 441 A T H <5S+ 0 0 84 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.945 116.4 46.1 -50.2 -52.5 -0.9 19.8 -6.0 210 442 A S H <5S- 0 0 68 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.841 105.4-138.9 -59.4 -30.8 1.2 17.2 -4.2 211 443 A G T <5 + 0 0 5 -4,-1.3 2,-1.5 -5,-0.5 -3,-0.2 0.522 50.9 146.2 83.0 8.6 -0.4 18.3 -1.0 212 444 A K < - 0 0 144 -5,-1.0 -1,-0.2 -6,-0.3 -2,-0.1 -0.549 30.1-167.1 -84.2 84.9 2.9 18.0 1.0 213 445 A Y - 0 0 42 -2,-1.5 2,-0.8 22,-0.1 -16,-0.2 -0.301 34.2 -97.6 -63.3 155.0 2.6 20.9 3.5 214 446 A N - 0 0 82 -18,-2.6 2,-0.7 -19,-0.2 -1,-0.1 -0.661 45.0-163.9 -74.4 105.4 5.8 21.9 5.4 215 447 A F - 0 0 85 -2,-0.8 -1,-0.0 4,-0.0 -3,-0.0 -0.832 9.1-168.6-105.5 112.3 5.5 20.1 8.8 216 448 A I >> - 0 0 63 -2,-0.7 4,-2.5 1,-0.2 3,-1.2 -0.806 6.3-165.8-104.1 100.2 7.7 21.2 11.7 217 449 A P H 3> S+ 0 0 82 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.837 88.5 56.6 -45.3 -51.5 7.6 18.7 14.6 218 450 A E H 34 S+ 0 0 182 1,-0.2 3,-0.2 2,-0.2 4,-0.1 0.829 115.1 39.2 -50.6 -38.5 9.2 21.2 17.1 219 451 A V H X4 S+ 0 0 36 -3,-1.2 3,-1.3 1,-0.2 -1,-0.2 0.947 112.4 52.4 -81.4 -52.0 6.4 23.7 16.4 220 452 A W H >< S+ 0 0 10 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.501 88.7 86.0 -62.6 -2.4 3.4 21.4 16.2 221 453 A A T 3< S+ 0 0 81 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.580 82.1 55.8 -83.1 -11.2 4.3 19.9 19.6 222 454 A E T < S+ 0 0 146 -3,-1.3 2,-0.4 -4,-0.1 -1,-0.3 0.068 98.9 86.7 -96.0 15.0 2.5 22.5 21.6 223 455 A V S < S- 0 0 18 -3,-1.1 -31,-0.0 -130,-0.0 -32,-0.0 -0.946 83.4-113.1-121.1 139.8 -0.6 21.5 19.6 224 456 A S > - 0 0 46 -2,-0.4 4,-1.5 1,-0.1 5,-0.1 -0.160 20.7-120.0 -65.5 160.9 -3.0 18.6 20.4 225 457 A E H > S+ 0 0 141 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.905 112.2 55.4 -62.5 -43.9 -3.4 15.5 18.2 226 458 A K H > S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 27,-0.2 0.935 106.7 48.9 -58.9 -45.9 -7.1 16.3 17.5 227 459 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.942 114.0 45.0 -60.6 -45.8 -6.4 19.7 16.2 228 460 A L H X S+ 0 0 25 -4,-1.5 4,-2.5 1,-0.2 5,-0.2 0.928 107.4 59.5 -66.5 -41.2 -3.7 18.4 13.8 229 461 A D H X S+ 0 0 39 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.917 105.4 50.1 -51.3 -45.5 -5.9 15.6 12.8 230 462 A L H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 5,-0.2 0.951 108.7 50.3 -59.0 -49.5 -8.5 18.2 11.6 231 463 A V H >X S+ 0 0 1 -4,-1.9 4,-3.3 1,-0.2 3,-0.8 0.914 109.6 51.7 -52.2 -46.0 -6.0 20.2 9.5 232 464 A K H 3< S+ 0 0 99 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.903 108.5 52.2 -62.6 -38.7 -4.8 16.9 7.9 233 465 A K H 3< S+ 0 0 78 -4,-2.0 10,-2.0 -5,-0.2 3,-0.3 0.686 113.6 42.0 -70.7 -21.0 -8.4 16.1 7.0 234 466 A L H << S+ 0 0 0 -4,-1.3 2,-1.4 -3,-0.8 -2,-0.2 0.789 103.3 67.6 -94.0 -32.4 -8.9 19.6 5.4 235 467 A L S < S+ 0 0 9 -4,-3.3 2,-0.5 -5,-0.2 -1,-0.2 -0.161 72.0 133.2 -74.2 47.2 -5.6 19.6 3.6 236 468 A V - 0 0 44 -2,-1.4 6,-0.2 -3,-0.3 -25,-0.1 -0.874 49.2-151.7-102.4 127.6 -6.7 16.6 1.3 237 469 A V S S+ 0 0 77 -2,-0.5 -1,-0.1 -27,-0.2 -26,-0.1 0.832 78.8 82.1 -71.5 -30.2 -5.9 17.1 -2.4 238 470 A D S >> S- 0 0 82 1,-0.2 4,-2.0 2,-0.0 3,-0.5 -0.608 70.5-156.0 -72.7 113.6 -8.8 14.9 -3.6 239 471 A P T 34 S+ 0 0 58 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.843 90.7 56.5 -63.4 -25.3 -11.8 17.3 -3.4 240 472 A K T 34 S+ 0 0 131 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.870 114.5 36.6 -70.3 -35.5 -14.2 14.3 -3.1 241 473 A A T <4 S+ 0 0 61 -3,-0.5 -1,-0.2 2,-0.1 3,-0.1 0.660 93.3 107.3 -91.8 -27.8 -12.5 12.9 0.1 242 474 A R S < S- 0 0 22 -4,-2.0 -8,-0.2 -6,-0.2 2,-0.1 -0.174 82.2 -91.9 -48.3 143.8 -11.6 16.3 1.6 243 475 A F - 0 0 31 -10,-2.0 2,-0.2 -13,-0.2 -1,-0.1 -0.372 34.7-146.4 -62.8 135.5 -13.7 17.4 4.7 244 476 A T > - 0 0 70 -2,-0.1 4,-3.1 -3,-0.1 5,-0.2 -0.503 33.4-101.0 -84.3 167.8 -16.8 19.4 4.3 245 477 A T H > S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.848 124.2 55.9 -60.4 -35.8 -17.8 22.0 6.9 246 478 A E H > S+ 0 0 89 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.981 109.7 45.1 -61.0 -48.7 -20.4 19.6 8.2 247 479 A E H >> S+ 0 0 68 1,-0.3 3,-1.4 2,-0.2 4,-1.1 0.950 111.0 52.2 -61.7 -46.4 -17.7 17.0 8.8 248 480 A A H >< S+ 0 0 0 -4,-3.1 3,-0.8 1,-0.3 6,-0.3 0.893 107.0 54.7 -60.7 -33.8 -15.3 19.4 10.3 249 481 A L H 3< S+ 0 0 23 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.746 109.4 46.2 -72.4 -19.1 -18.0 20.5 12.7 250 482 A R H << S+ 0 0 164 -3,-1.4 -1,-0.2 -4,-1.1 -2,-0.2 0.603 86.5 119.0 -93.2 -6.5 -18.6 17.0 13.9 251 483 A H S X< S- 0 0 9 -4,-1.1 3,-1.2 -3,-0.8 4,-0.5 -0.186 79.0-113.6 -60.8 142.5 -14.9 16.3 14.3 252 484 A P G > S+ 0 0 72 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.861 112.3 64.8 -52.2 -33.7 -13.9 15.4 17.9 253 485 A W G 3 S+ 0 0 8 1,-0.3 -26,-0.1 -27,-0.2 -4,-0.1 0.886 102.4 47.7 -58.9 -38.7 -11.8 18.7 18.2 254 486 A L G < S+ 0 0 1 -3,-1.2 2,-1.7 -6,-0.3 -1,-0.3 0.468 83.5 98.7 -80.8 2.9 -14.9 20.9 17.9 255 487 A Q < + 0 0 113 -3,-2.2 2,-0.5 -4,-0.5 -1,-0.2 -0.529 51.6 126.3 -88.1 70.5 -16.9 18.7 20.5 256 488 A D > - 0 0 43 -2,-1.7 4,-2.3 1,-0.1 3,-0.2 -0.929 42.6-170.7-134.9 98.2 -16.1 21.2 23.2 257 489 A E H > S+ 0 0 147 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.722 85.1 60.4 -74.9 -10.8 -19.1 22.6 25.1 258 490 A D H > S+ 0 0 115 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.884 109.8 39.2 -79.9 -43.8 -17.0 25.2 26.9 259 491 A M H > S+ 0 0 6 2,-0.2 4,-2.6 -3,-0.2 -2,-0.2 0.898 115.9 53.6 -64.1 -43.8 -16.0 26.9 23.7 260 492 A K H X S+ 0 0 59 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.909 111.8 47.7 -50.2 -43.1 -19.6 26.3 22.5 261 493 A R H X S+ 0 0 137 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.924 108.6 51.2 -61.7 -54.8 -20.5 28.1 25.8 262 494 A K H X S+ 0 0 71 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.902 108.8 53.4 -51.6 -47.4 -18.2 31.0 25.3 263 495 A F H X S+ 0 0 5 -4,-2.6 4,-2.8 1,-0.2 3,-0.2 0.915 107.9 46.2 -60.3 -52.2 -19.6 31.6 21.8 264 496 A Q H X S+ 0 0 114 -4,-1.7 4,-1.8 1,-0.3 -1,-0.2 0.819 110.8 57.4 -58.1 -33.6 -23.3 31.8 22.7 265 497 A D H X S+ 0 0 88 -4,-1.9 4,-2.4 2,-0.2 -1,-0.3 0.910 108.0 45.5 -60.6 -44.8 -22.1 34.1 25.5 266 498 A L H X S+ 0 0 13 -4,-1.8 4,-1.8 -3,-0.2 -2,-0.2 0.880 107.7 55.6 -71.5 -40.5 -20.6 36.3 22.9 267 499 A L H < S+ 0 0 41 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.914 111.4 47.8 -52.4 -40.1 -23.6 36.2 20.6 268 500 A S H >< S+ 0 0 74 -4,-1.8 3,-2.4 1,-0.2 -2,-0.2 0.942 103.8 56.2 -72.0 -48.8 -25.5 37.4 23.7 269 501 A E H 3< S+ 0 0 142 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.858 102.4 60.7 -45.1 -41.8 -23.1 40.3 24.7 270 502 A E T 3< 0 0 106 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.592 360.0 360.0 -67.7 -10.6 -23.7 41.6 21.1 271 503 A N < 0 0 172 -3,-2.4 -3,-0.1 -4,-0.3 -2,-0.1 0.263 360.0 360.0-118.7 360.0 -27.4 42.0 21.8